2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C19H27ClN2O3S — CID 42906780

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCN(CC(=O)NC1CC2CCC1(C)C2(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O3S/c1-18(2)13-9-10-19(18,3)16(11-13)21-17(23)12-22(4)26(24,25)15-7-5-14(20)6-8-15/h5-8,13,16H,9-12H2,1-4H3,(H,21,23)
InChIKeyBVSXAGQYEPVNSC-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.29
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 42906780) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID42906780
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCN(CC(=O)NC1CC2CCC1(C)C2(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O3S/c1-18(2)13-9-10-19(18,3)16(11-13)21-17(23)12-22(4)26(24,25)15-7-5-14(20)6-8-15/h5-8,13,16H,9-12H2,1-4H3,(H,21,23)
InChIKeyBVSXAGQYEPVNSC-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide with MolForge

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Related Compounds

4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 98775845
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 124827519
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119565832
[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24526325

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 42906780) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CN(CC(=O)NC1CC2CCC1(C)C2(C)C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is BVSXAGQYEPVNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-18(2)13-9-10-19(18,3)16(11-13)21-17(23)12-22(4)26(24,25)15-7-5-14(20)6-8-15/h5-8,13,16H,9-12H2,1-4H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 398.96 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 42906780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).